1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one

C14H25NO2 — CID 107010922

IUPAC1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1COCC1NCC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-8-9-14(16)12-10-17-11-13(12)15-4-2/h3,12-13,15H,1,4-11H2,2H3
InChIKeyJMKADCASDURIGR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.32
Rot. Bonds9

About 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one

1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one (PubChem CID 107010922) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one
PubChem CID107010922
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1COCC1NCC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-8-9-14(16)12-10-17-11-13(12)15-4-2/h3,12-13,15H,1,4-11H2,2H3
InChIKeyJMKADCASDURIGR-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one (CID 107010922) is 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one is C=CCCCCCC(=O)C1COCC1NCC.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one?
The InChIKey is JMKADCASDURIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-5-6-7-8-9-14(16)12-10-17-11-13(12)15-4-2/h3,12-13,15H,1,4-11H2,2H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one?
1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)oxolan-3-yl]oct-7-en-1-one is sourced from PubChem (CID 107010922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).